3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine

C14H22N2O3S — CID 81458430

IUPAC3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccccc2OC)CCC1N
InChIInChI=1S/C14H22N2O3S/c1-3-11-10-16(9-8-12(11)15)20(17,18)14-7-5-4-6-13(14)19-2/h4-7,11-12H,3,8-10,15H2,1-2H3
InChIKeyMTVORSQNHHZTHO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds4

About 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine

3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine (PubChem CID 81458430) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
PubChem CID81458430
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccccc2OC)CCC1N
InChIInChI=1S/C14H22N2O3S/c1-3-11-10-16(9-8-12(11)15)20(17,18)14-7-5-4-6-13(14)19-2/h4-7,11-12H,3,8-10,15H2,1-2H3
InChIKeyMTVORSQNHHZTHO-UHFFFAOYSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458578
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
2-[(3R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]benzoic acid
CID 95715201
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
4-(4-amino-3-ethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106998996
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine (CID 81458430) is 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine is CCC1CN(S(=O)(=O)c2ccccc2OC)CCC1N.
What is the InChIKey of 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine?
The InChIKey is MTVORSQNHHZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-11-10-16(9-8-12(11)15)20(17,18)14-7-5-4-6-13(14)19-2/h4-7,11-12H,3,8-10,15H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine?
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine has a molecular weight of 298.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 81458430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).